MolNFT v1 · #145062 · protein
Crystal structure of AKT1 in complex with a selective inhibitor
6CCY · Rac-alpha SERINE/THREONINE-protein KINASE,PIFTIDE: “Crystal structure of AKT1 in complex with a selective inhibitor”. X-ray diffraction, 1 ligand (EX4), 4 pockets (best druggability 0.72). MolNFT v1 #145062 on GenesisL1: 3D…
- PDB
- 6CCY
- Type
- protein
- Length
- 326 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rac-alpha SERINE/THREONINE-protein KINASE,PIFTIDE
- EC
- 2.7.11.1
- UniProt
- P31749, Q16513
- Ligands
- EX4
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rac-alpha SERINE/THREONINE-protein KINASE,PIFTIDE (EC 2.7.11.1) | protein | 326 | 34% helix, 16% strand | P31749, Q16513 |
Ligands and binding sites
- EX4 · (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 498 | 0.72 | 0.81 | 48 | EX4 |
| 2 | 166 | 0.46 | 0.75 | 23 | empty |
| 3 | 70 | 0.41 | 0.80 | 21 | empty |
| 4 | 66 | 0.31 | 0.75 | 18 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 6CCY · Crystal structure of Akt1 in complex with a selective inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P31749 · AlphaFold monomer V2.0 prediction for rac-alpha SERINE/THREONINE- protein kinase (P31749) · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q16513 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase N2 (Q16513) · a predicted model of the same protein · chain A against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P31749
- Every structure of UniProt Q16513
- Elsewhere: RCSB PDB 6CCY · PDBe 6CCY · UniProt P31749 · UniProt Q16513
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.